(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate

C23H18Cl3NO4 — CID 139661100

IUPAC(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate
SMILESO=C(Cc1ccccc1)OC(Nc1c(Cl)cccc1Cl)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C23H18Cl3NO4/c24-17-9-4-8-16(12-17)14-30-23(29)22(27-21-18(25)10-5-11-19(21)26)31-20(28)13-15-6-2-1-3-7-15/h1-12,22,27H,13-14H2
InChIKeyHJSWAZCINMUKKZ-UHFFFAOYSA-N
MW478.76 g/mol
LogP5.91
Rot. Bonds8

About (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate

(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate (PubChem CID 139661100) has the molecular formula C23H18Cl3NO4 and a molecular weight of 478.76 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate
PubChem CID139661100
Molecular FormulaC23H18Cl3NO4
Molecular Weight478.76 g/mol
Exact Mass477.03
IUPAC Name(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate
SMILESO=C(Cc1ccccc1)OC(Nc1c(Cl)cccc1Cl)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C23H18Cl3NO4/c24-17-9-4-8-16(12-17)14-30-23(29)22(27-21-18(25)10-5-11-19(21)26)31-20(28)13-15-6-2-1-3-7-15/h1-12,22,27H,13-14H2
InChIKeyHJSWAZCINMUKKZ-UHFFFAOYSA-N
XLogP5.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.76
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

oxan-2-yl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate
CID 142637584
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
[3-[1,4,4-tris[3-[[2-(2-chlorophenyl)acetyl]oxymethyl]phenyl]butyl]phenyl]methyl 2-(2-chlorophenyl)acetate
CID 87352521
3-[(3-chlorophenyl)methoxycarbonylamino]-3-sulfanylpropanoic acid
CID 156884507
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
(3-chlorophenyl)methyl 3-(phenylcarbamoylamino)propanoate
CID 7805492
3-(3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309203
methyl (2S)-2-[(3-chlorophenyl)methoxycarbonylamino]sulfanyl-3-phenylpropanoate
CID 156884492

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate?
The IUPAC name of (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate (CID 139661100) is (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate?
The canonical SMILES for (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate is O=C(Cc1ccccc1)OC(Nc1c(Cl)cccc1Cl)C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate?
The InChIKey is HJSWAZCINMUKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3NO4/c24-17-9-4-8-16(12-17)14-30-23(29)22(27-21-18(25)10-5-11-19(21)26)31-20(28)13-15-6-2-1-3-7-15/h1-12,22,27H,13-14H2.
What are the key properties of (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate?
(3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate has a molecular weight of 478.76 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-(2,6-dichloroanilino)-2-(2-phenylacetyl)oxyacetate is sourced from PubChem (CID 139661100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).